3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate
Compound characteristics
| Compound ID: | Y041-1630 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl N-(4-methylbenzene-1-sulfonyl)isoleucinate |
| Molecular Weight: | 547.67 |
| Molecular Formula: | C31 H33 N O6 S |
| Smiles: | CC[C@@H](C)[C@@H](C(=O)Oc1ccc2C(C)=C(Cc3ccccc3)C(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7719 |
| logD: | 6.7718 |
| logSw: | -5.7827 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.633 |
| InChI Key: | OGGGNHVDFFTDDP-NGOKVRLYSA-N |